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3-(1H-indol-3-yl)-2-nitro-butanoic acid

3-(1H-indol-3-yl)-2-nitro-butanoic acid

Systemtic Name:3-(1H-indol-3-yl)-2-nitro-butanoic acid
Openeye Name:3-(1H-indol-3-yl)-2-nitro-butanoic acid
CAS Name:3-(1H-indol-3-yl)-2-nitrobutanoic acid
IUPAC Name:3-(1H-indol-3-yl)-2-nitrobutanoic acid
Traditional Name:3-(1H-indol-3-yl)-2-nitro-butyric acid
Formula: C12H12N2O4
MolecularWeight: 248.23468
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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC2=CC=CC=C21)C(C(=O)O)[N+](=O)[O-]


Isomeric SMILES

CC(C1=CNC2=CC=CC=C21)C(C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C12H12N2O4/c1-7(11(12(15)16)14(17)18)9-6-13-10-5-3-2-4-8(9)10/h2-7,11,13H,1H3,(H,15,16)


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